1-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride

Systemtic Name: 1-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Openeye Name: 1-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride CAS Name: 1-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride IUPAC Name: 1-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Traditional Name: 1-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Formula: C13H21ClN2O3 MolecularWeight: 288.77044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CC[NH2+]CC2.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CC[NH2+]CC2.[Cl-]

InChI

InChI=1S/C13H20N2O3.ClH/c1-16-11-8-10(15-6-4-14-5-7-15)9-12(17-2)13(11)18-3;/h8-9,14H,4-7H2,1-3H3;1H